methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate

C14H25NO3 — CID 114448994

IUPACmethyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate
SMILESC=C(C)CCN(CCC(=O)OC)CC1CCCO1
InChIInChI=1S/C14H25NO3/c1-12(2)6-8-15(9-7-14(16)17-3)11-13-5-4-10-18-13/h13H,1,4-11H2,2-3H3
InChIKeyRZXYEMJGCUHICP-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.00
Rot. Bonds8

About methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate

methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate (PubChem CID 114448994) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate
PubChem CID114448994
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate
SMILESC=C(C)CCN(CCC(=O)OC)CC1CCCO1
InChIInChI=1S/C14H25NO3/c1-12(2)6-8-15(9-7-14(16)17-3)11-13-5-4-10-18-13/h13H,1,4-11H2,2-3H3
InChIKeyRZXYEMJGCUHICP-UHFFFAOYSA-N
XLogP2.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[2-methylidenebutyl(oxolan-2-ylmethyl)amino]propanoate
CID 113330840
methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate
CID 113237140
methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964574
methyl 3-[3-methylbut-2-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964303
methyl 3-[2-methylpropyl(oxolan-2-ylmethyl)amino]propanoate
CID 60606291
methyl 3-[(3-cyano-3-methylbutyl)-(oxolan-2-ylmethyl)amino]propanoate
CID 115536638
methyl 3-[oxolan-2-ylmethyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 115536607
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
CID 47039081
methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 61434381
methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate
CID 61233938
methyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964014
methyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate
CID 78960585

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate?
The IUPAC name of methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate (CID 114448994) is methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate is C=C(C)CCN(CCC(=O)OC)CC1CCCO1.
What is the InChIKey of methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate?
The InChIKey is RZXYEMJGCUHICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-12(2)6-8-15(9-7-14(16)17-3)11-13-5-4-10-18-13/h13H,1,4-11H2,2-3H3.
What are the key properties of methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate?
methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate has a molecular weight of 255.36 g/mol, XLogP of 2.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate is sourced from PubChem (CID 114448994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).